SCHEMBL7165071

SCHEMBL7165071

CCCCCN(C)CCCCCCOc1ccc(N(C)C(=O)c2ccc(F)c(C)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
THRA P10827 6/20 0.47
THRB P10828 5/20 0.47
TP53 P04637 1/20 0.45
TSHR P16473 1/20 0.45
MCHR1 Q99705 4/20 0.44
LSS P48449 3/20 0.44
PLA2G4B P0C869 1/20 0.44
MAOB P27338 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7166938 0.76 THRA (0.51) THRATHRBTP53TSHRLSS
SCHEMBL7169877 0.76 THRA (0.51) THRATHRBTP53TSHRLSS
SCHEMBL3365531 0.74 LSS (0.61) LSS
SCHEMBL3365325 0.73 LSS (0.78) LSS
SCHEMBL7201224 0.72 SMN1; SMN2 (0.52) THRATHRBTP53TSHRLSS
SCHEMBL7178386 0.72 THRA (0.47) THRATHRBTP53TSHRMCHR1
SCHEMBL7166192 0.72 THRA (0.49) THRATHRBTP53TSHRLSS
SCHEMBL17192957 0.72 LSS (0.72) THRATHRBTP53TSHRLSS
SCHEMBL3365379 0.72 LSS (0.64) LSS
SCHEMBL7173887 0.71 LIPE (0.48) THRATHRBTP53TSHRLSS

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1303503-A2 ANILINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-04-23 EP disclosed
WO-2002006189-A2 ANILINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-01-24 WO disclosed